5-methoxy-6-methyl-1-[(3Z,5Z)-3,4,6,7-tetrafluoro-5-(5-methoxycyclohexa-1,3-dien-1-yl)oxyhepta-3,5-dien-2-yl]oxycyclohexa-1,3-diene

C22H26F4O4 — CID 167106220

About 5-methoxy-6-methyl-1-[(3Z,5Z)-3,4,6,7-tetrafluoro-5-(5-methoxycyclohexa-1,3-dien-1-yl)oxyhepta-3,5-dien-2-yl]oxycyclohexa-1,3-diene

5-methoxy-6-methyl-1-[(3Z,5Z)-3,4,6,7-tetrafluoro-5-(5-methoxycyclohexa-1,3-dien-1-yl)oxyhepta-3,5-dien-2-yl]oxycyclohexa-1,3-diene (PubChem CID 167106220) has the molecular formula C22H26F4O4 and a molecular weight of 430.44 g/mol. Its IUPAC name is 5-methoxy-6-methyl-1-[(3Z,5Z)-3,4,6,7-tetrafluoro-5-(5-methoxycyclohexa-1,3-dien-1-yl)oxyhepta-3,5-dien-2-yl]oxycyclohexa-1,3-diene.

Molecular Properties

• Compound Name: 5-methoxy-6-methyl-1-[(3Z,5Z)-3,4,6,7-tetrafluoro-5-(5-methoxycyclohexa-1,3-dien-1-yl)oxyhepta-3,5-dien-2-yl]oxycyclohexa-1,3-diene
• PubChem CID: 167106220
• Molecular Formula: C22H26F4O4
• Molecular Weight: 430.44 g/mol
• Exact Mass: 430.18
• IUPAC Name: 5-methoxy-6-methyl-1-[(3Z,5Z)-3,4,6,7-tetrafluoro-5-(5-methoxycyclohexa-1,3-dien-1-yl)oxyhepta-3,5-dien-2-yl]oxycyclohexa-1,3-diene
• SMILES: COC1C=CC=C(OC(=C(\F)CF)/C(F)=C(/F)C(C)OC2=CC=CC(OC)C2C)C1
• InChI: InChI=1S/C22H26F4O4/c1-13-18(28-4)9-6-10-19(13)29-14(2)20(25)21(26)22(17(24)12-23)30-16-8-5-7-15(11-16)27-3/h5-10,13-15,18H,11-12H2,1-4H3/b21-20-,22-17-
• InChIKey: BGOJRWWMBBDXJT-FPPBVBDZSA-N
• XLogP: 5.67
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.44
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-methyl-1-[(3Z,5Z)-3,4,6,7-tetrafluoro-5-(5-methoxycyclohexa-1,3-dien-1-yl)oxyhepta-3,5-dien-2-yl]oxycyclohexa-1,3-diene?

The IUPAC name of 5-methoxy-6-methyl-1-[(3Z,5Z)-3,4,6,7-tetrafluoro-5-(5-methoxycyclohexa-1,3-dien-1-yl)oxyhepta-3,5-dien-2-yl]oxycyclohexa-1,3-diene (CID 167106220) is 5-methoxy-6-methyl-1-[(3Z,5Z)-3,4,6,7-tetrafluoro-5-(5-methoxycyclohexa-1,3-dien-1-yl)oxyhepta-3,5-dien-2-yl]oxycyclohexa-1,3-diene.

What is the SMILES notation for 5-methoxy-6-methyl-1-[(3Z,5Z)-3,4,6,7-tetrafluoro-5-(5-methoxycyclohexa-1,3-dien-1-yl)oxyhepta-3,5-dien-2-yl]oxycyclohexa-1,3-diene?

The canonical SMILES for 5-methoxy-6-methyl-1-[(3Z,5Z)-3,4,6,7-tetrafluoro-5-(5-methoxycyclohexa-1,3-dien-1-yl)oxyhepta-3,5-dien-2-yl]oxycyclohexa-1,3-diene is COC1C=CC=C(OC(=C(\F)CF)/C(F)=C(/F)C(C)OC2=CC=CC(OC)C2C)C1.

What is the InChIKey of 5-methoxy-6-methyl-1-[(3Z,5Z)-3,4,6,7-tetrafluoro-5-(5-methoxycyclohexa-1,3-dien-1-yl)oxyhepta-3,5-dien-2-yl]oxycyclohexa-1,3-diene?

The InChIKey is BGOJRWWMBBDXJT-FPPBVBDZSA-N. The full InChI is InChI=1S/C22H26F4O4/c1-13-18(28-4)9-6-10-19(13)29-14(2)20(25)21(26)22(17(24)12-23)30-16-8-5-7-15(11-16)27-3/h5-10,13-15,18H,11-12H2,1-4H3/b21-20-,22-17-.

What are the key properties of 5-methoxy-6-methyl-1-[(3Z,5Z)-3,4,6,7-tetrafluoro-5-(5-methoxycyclohexa-1,3-dien-1-yl)oxyhepta-3,5-dien-2-yl]oxycyclohexa-1,3-diene?

5-methoxy-6-methyl-1-[(3Z,5Z)-3,4,6,7-tetrafluoro-5-(5-methoxycyclohexa-1,3-dien-1-yl)oxyhepta-3,5-dien-2-yl]oxycyclohexa-1,3-diene has a molecular weight of 430.44 g/mol, XLogP of 5.67, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methoxy-6-methyl-1-[(3Z,5Z)-3,4,6,7-tetrafluoro-5-(5-methoxycyclohexa-1,3-dien-1-yl)oxyhepta-3,5-dien-2-yl]oxycyclohexa-1,3-diene is sourced from PubChem (CID 167106220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).